Compound Detail
CHEMBL5191141
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[2H]c1c([2H])c([2H])c([C@@H]2C[C@@H](N3CCN(C([2H])([2H])[2H])C(C)(C)C3)c3cc(Cl)ccc32)c([2H])c1[2H]
Basic Information
| ChEMBL ID | CHEMBL5191141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYPMJBXPNZMNQD-WHCYFCLHSA-N |
| Parent Compound | CHEMBL3039528 |
| Active Moiety | CHEMBL3039528 |
20
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
354.9
MW (Da)
4.94
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 20 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.23 | 9.23 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 8.01 | 8.01 | 9.7 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine